| SpectraBase Compound ID | K5hwWa0cskq |
|---|---|
| InChI | InChI=1S/C8H10N8O2/c9-8(13-16(17)18)12-10-5-15-7-4-2-1-3-6(7)11-14-15/h1-4,10H,5H2,(H3,9,12,13) |
| InChIKey | OTERHOJLZLZTQW-UHFFFAOYSA-N |
| Mol Weight | 250.22 g/mol |
| Molecular Formula | C8H10N8O2 |
| Exact Mass | 250.092672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8dSezJ2c0J2 |
|---|---|
| Name | Benzotriazole, 1-(2-nitroguanidyl)aminomethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.092671592 u |
| Formula | C8H10N8O2 |
| InChI | InChI=1S/C8H10N8O2/c9-8(13-16(17)18)12-10-5-15-7-4-2-1-3-6(7)11-14-15/h1-4,10H,5H2,(H3,9,12,13) |
| InChIKey | OTERHOJLZLZTQW-UHFFFAOYSA-N |
| Molecular Weight | 250.222 g/mol |
| SMILES | C1=CC=2N=NN(C2C=C1)CNN\C(=N\N(=O)=O)N |